Abstract
The paper contains results of statistical and chemometric analysis for 15 thiourea derivatives containing the 3-amino-1,2,4-triazole moiety and characterized by antimicrobial activity against Staphylococcus aureus (NCTC 4163, ATCC 25923, ATCC 6538, ATCC 29213), Staphylococcus epidermidis (ATCC 12228) bacteria, as well as by low cytotoxicity (or lack thereof) against infected MT-4 cells. Multiple regression and cluster analysis were employed to perform the study. The research enabled obtaining linear relationships connected with three molecular descriptors SA, η, logP. The conducted chemometric analyses indicate that the increase in activity against the studied strains is closely related to the type and position of substituent in a phenyl ring.
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Filipowska, A., Filipowski, W., Tkacz, E., Wujec, M. (2018). Statistical Analysis of the Impact of Molecular Descriptors on Antimicrobial Activity of Thiourea Derivatives Incorporating 3-amino-1,2,4-triazole Scaffold. In: Gzik, M., Tkacz, E., Paszenda, Z., Piętka, E. (eds) Innovations in Biomedical Engineering . IBE 2017. Advances in Intelligent Systems and Computing, vol 623 . Springer, Cham. https://doi.org/10.1007/978-3-319-70063-2_19
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DOI: https://doi.org/10.1007/978-3-319-70063-2_19
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